S976-0038 Screening compound: 5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole

S976-0038 Screening compound: 5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole
S976-0038 Screening compound: 5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-0038
5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S976-0038

Molecular Formula

C19H22FN3O2 (C19 H22 FN3 O2)

Compound Name

5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole

IUPAC name

5-[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-indole

SMILES

O=C(C(CCC1)(CN1C(c(cc1)cc2c1[nH]cc2)=O)F)N1CCCC1

InChI

InChI=1S/C19H22FN3O2/c20-19(18(25)22-9-1-2-10-22)7-3-11-23(13-19)17(24)15-4-5-16-14(12-15)6-8-21-16/h4-6,8,12,21H,1-3,7,9-11,13H2/t19-/m0/s1

InChI Key

BKEZWYQBTCAOGD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32232391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-2.49

Polar Surface Area

43.616

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S976-0038 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S976-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-0038?
Check Price and Availability of S976-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S976-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-0038
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S976-0038 available by request